Chem
J-GLOBAL ID：200907050277104048   Nikkaji number：J1.248.927G

5-Methoxyisophthalic acid

5-メトキシイソフタル酸
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C9H8O5
Molecular formula furigana： C9-H8-O5
Molecular weight： 196.158
InChI： InChI=1S/C9H8O5/c1-14-7-3-5(8(10)11)2-6(4-7)9(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChI key： POSMIIJADZKUPL-UHFFFAOYSA-N
SMILES： COc1cc(cc(c1)C(=O)O)C(=O)O
Systematic name  (4)：
  • 5-メトキシイソフタル酸
  • 5-メトキシ-1,3-ベンゼンジカルボン酸
  • 5-メトキシベンゼン-1,3-ジカルボン酸
  • 5-methoxybenzene-1,3-dicarboxylic acid
Other name (3)：
  • 5-Methoxyisophthalic acid
  • 5-Methoxy-1,3-benzenedicarboxylic acid
  • 5-Methoxybenzene-1,3-dicarboxylic acid
CAS registry number： 46331-50-4
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